N-benzyldecan-1-imine

C17H27N — CID 11276634

IUPACN-benzyldecan-1-imine
SMILESCCCCCCCCC/C=N/Cc1ccccc1
InChIInChI=1S/C17H27N/c1-2-3-4-5-6-7-8-12-15-18-16-17-13-10-9-11-14-17/h9-11,13-15H,2-8,12,16H2,1H3/b18-15+
InChIKeyHEAMOTLUIHIDRN-OBGWFSINSA-N
MW245.41 g/mol
LogP5.40
Rot. Bonds10

About N-benzyldecan-1-imine

N-benzyldecan-1-imine (PubChem CID 11276634) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-benzyldecan-1-imine.

Molecular Properties

Compound NameN-benzyldecan-1-imine
PubChem CID11276634
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-benzyldecan-1-imine
SMILESCCCCCCCCC/C=N/Cc1ccccc1
InChIInChI=1S/C17H27N/c1-2-3-4-5-6-7-8-12-15-18-16-17-13-10-9-11-14-17/h9-11,13-15H,2-8,12,16H2,1H3/b18-15+
InChIKeyHEAMOTLUIHIDRN-OBGWFSINSA-N
XLogP5.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
4-(4-benzyliminobutyl)-N,N-dimethylaniline
CID 71281782
dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053
N-benzylpent-2-en-1-imine
CID 71349655
heptadec-4-enylbenzene
CID 173163087
[(Z)-heptadec-10-enyl]benzene
CID 175397737
hexakis(decane);ethylbenzene
CID 173398562
N-(5-phenylhexyl)hexan-1-imine
CID 91399547
N-benzyl-3-methylbutan-1-imine
CID 11457986
[(E)-oct-2-enyl]benzene
CID 13383320
N-decylidenebenzamide
CID 90984528

Frequently Asked Questions

What is the IUPAC name of N-benzyldecan-1-imine?
The IUPAC name of N-benzyldecan-1-imine (CID 11276634) is N-benzyldecan-1-imine.
What is the SMILES notation for N-benzyldecan-1-imine?
The canonical SMILES for N-benzyldecan-1-imine is CCCCCCCCC/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyldecan-1-imine?
The InChIKey is HEAMOTLUIHIDRN-OBGWFSINSA-N. The full InChI is InChI=1S/C17H27N/c1-2-3-4-5-6-7-8-12-15-18-16-17-13-10-9-11-14-17/h9-11,13-15H,2-8,12,16H2,1H3/b18-15+.
What are the key properties of N-benzyldecan-1-imine?
N-benzyldecan-1-imine has a molecular weight of 245.41 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyldecan-1-imine is sourced from PubChem (CID 11276634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).